CID 13329532

Brn 5970764

Structural Information

Molecular Formula
C17H18O4
SMILES
CC(=CCOC1=C(C=C2C(=C1)OC3(C2=O)CC3)C(=O)C)C
InChI
InChI=1S/C17H18O4/c1-10(2)4-7-20-14-9-15-13(8-12(14)11(3)18)16(19)17(21-15)5-6-17/h4,8-9H,5-7H2,1-3H3
InChIKey
FVESQNYJGWMWIR-UHFFFAOYSA-N
Compound name
5-acetyl-6-(3-methylbut-2-enoxy)spiro[1-benzofuran-2,1'-cyclopropane]-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 167.0
[M+Na]+ 309.10972 179.6
[M+NH4]+ 304.15432 176.2
[M+K]+ 325.08366 175.4
[M-H]- 285.11322 176.6
[M+Na-2H]- 307.09517 173.2
[M]+ 286.11995 172.7
[M]- 286.12105 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.